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Toward Machine Learning Enhancement of Accelerated Surface Hopping with Scaled Spin--Orbit Couplings

Martinka, Jakub et al.
arXiv (All) · Papers
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chemical-physics
Surface hopping (SH) methods are typically employed to simulate ultrafast nonadiabatic processes, but long timescales often remain beyond their reach. To address this, accelerated SH scheme mitigate this limitation by scaling the driving forces of such process, either nonadiabatic couplings (NACs) i
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